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Information card for entry 1501792
Preview
Coordinates | 1501792.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H36 Cl Cr N2 O6 |
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Calculated formula | C36 H36 Cl Cr N2 O6 |
SMILES | [Cr]123(Cl)([O]4CC(C4)(COC)C)Oc4c(cc(OC)cc4C(C)(C)C)C=[N]2c2c([N]3=Cc3c(O1)c(cc(OC)c3)C(C)(C)C)cccc2 |
Title of publication | Aliphatic Polycarbonates Produced from the Coupling of Carbon Dioxide and Oxetanes and Their Depolymerization via Cyclic Carbonate Formation |
Authors of publication | Darensbourg, Donald J.; Moncada, Adriana I.; Wei, Sheng-Hsuan |
Journal of publication | Macromolecules |
Year of publication | 2011 |
Journal volume | 44 |
Journal issue | 8 |
Pages of publication | 2568 |
a | 17.268 ± 0.009 Å |
b | 18.138 ± 0.01 Å |
c | 11.499 ± 0.005 Å |
α | 90° |
β | 106.48 ± 0.02° |
γ | 90° |
Cell volume | 3454 ± 3 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.2425 |
Residual factor for significantly intense reflections | 0.0839 |
Weighted residual factors for significantly intense reflections | 0.1144 |
Weighted residual factors for all reflections included in the refinement | 0.1654 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1501792.cif |
91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501792.cif |
35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501792.cif |
35144 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501792 via cif-deposit CGI script. |
1501792.cif |
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Users of the data should acknowledge the original authors of the
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